2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid
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![2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a1c76569087a43b9ada6a9d2002ea3c6.png "2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid")
2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid
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CAS No:
102416-28-4
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Formula:
C46H56O8
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Chemical Name:
2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid
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Synonyms:
18-olean-9(11),12-diene-3,30-diol dihemiphthalate;18-olean-9(11),12-diene-3,30-diol dihemiphthalate, disodium salt, (3beta,20beta)-isomer;ODDDH;102416-28-4;ODDDH;18-Olean-9(11),12-diene-3,30-diol dihemiphthalate;DTXSID20907486;2,2'-[Oleana-9(11),12-diene-3,29-diylbis(oxycarbonyl)]dibenzoic acid;Oleana-9(11),12-diene-3,29-diol, bis(hydrogen 1,2-benzenedicarboxylate), (3beta,20beta)-
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CAS No:
2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid Basic Attributes
736.9 g/mol
736.39751874 g/mol
Computed Properties
Molecular Weight:736.9
XLogP3:10.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:736.39751874
Monoisotopic Mass:736.39751874
Topological Polar Surface Area:127
Heavy Atom Count:54
Complexity:1610
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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